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    KYT 0353

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    2D Structure
    Also known as: Kyt0353, Kyt 0353, (2s)-2-amino-3-[4-[(5-amino-2-phenyl-1,3-benzoxazol-7-yl)methoxy]-3,5-dichlorophenyl]propanoic acid, (2s)-2-amino-3-(4-((5-amino-2-phenyl-1,3-benzoxazol-7-yl)methoxy)-3,5-dichlorophenyl)propanoic acid, Refchem:164542, Jph203
    Molecular Formula
    C23H19Cl2N3O4
    Molecular Weight
    472.3  g/mol
    InChI Key
    XNRZJPQTMQZBCE-SFHVURJKSA-N
    FDA UNII
    CEDO9QXYZK
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-amino-3-[4-[(5-amino-2-phenyl-1,3-benzoxazol-7-yl)methoxy]-3,5-dichlorophenyl]propanoic acid
    2.1.2 InChI
    InChI=1S/C23H19Cl2N3O4/c24-16-6-12(8-18(27)23(29)30)7-17(25)21(16)31-11-14-9-15(26)10-19-20(14)32-22(28-19)13-4-2-1-3-5-13/h1-7,9-10,18H,8,11,26-27H2,(H,29,30)/t18-/m0/s1
    2.1.3 InChI Key
    XNRZJPQTMQZBCE-SFHVURJKSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    CEDO9QXYZK
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Kyt 0353

    2. Kyt0353

    2.3.2 Depositor-Supplied Synonyms

    1. Kyt0353

    2. Kyt 0353

    3. (2s)-2-amino-3-[4-[(5-amino-2-phenyl-1,3-benzoxazol-7-yl)methoxy]-3,5-dichlorophenyl]propanoic Acid

    4. (2s)-2-amino-3-(4-((5-amino-2-phenyl-1,3-benzoxazol-7-yl)methoxy)-3,5-dichlorophenyl)propanoic Acid

    5. Refchem:164542

    6. Jph203

    7. 1037592-40-7

    8. Nanvuranlat

    9. Jph-203

    10. Jph203 Free Base

    11. Cedo9qxyzk

    12. Unii-cedo9qxyzk

    13. (s)-2-amino-3-(4-((5-amino-2-phenylbenzo[d]oxazol-7-yl)methoxy)-3,5-dichlorophenyl)propanoic Acid

    14. Jph 203

    15. Mfcd30534398

    16. Chembl4538666

    17. L-tyrosine, O-((5-amino-2-phenyl-7-benzoxazolyl)methyl)-3,5-dichloro-

    18. 1037592-40-7 (free Base)

    19. (2s)-2-amino-3-(4-((5-amino-2-phenyl-1,3-benzoxazol-7-yl)methoxy)-3,5-dichloro-phenyl)propanoic Acid

    20. (2s)-2-amino-3-[4-[(5-amino-2-phenyl-1,3-benzoxazol-7-yl)methoxy]-3,5-dichloro-phenyl]propanoic Acid

    21. Vrw

    22. Nanvuranlat [inn]

    23. C23h19cl2n3o4

    24. Gtpl9347

    25. Orb1296219

    26. O-[(5-amino-2-phenyl-7-benzoxazolyl)methyl]-3,5-dichloro-l-tyrosine

    27. Schembl17360639

    28. Schembl29369044

    29. Glxc-10626

    30. Ex-a2559

    31. Jph 203;

    32. L-tyrosine, O-[(5-amino-2-phenyl-7-benzoxazolyl)methyl]-3,5-dichloro-;l-tyrosine, O-[(5-amino-2-phenyl-7-benzoxazolyl)methyl]-3,5-dichloro-

    33. Bdbm50532381

    34. S8667

    35. Akos032945064

    36. Cs-6064

    37. Ac-36140

    38. Bs-14324

    39. Da-64663

    40. Jph203 Hydrochloride, >=98% (hplc)

    41. Hy-100868

    42. Compound-jp [us20160279103]

    43. D71159

    44. O-((5-amino-2-phenyl-1,3-benzoxazol-7-yl)methyl)-3,5- Dichloro-l-tyrosine

    45. (s)-2-amino-3-(4-((5-amino-2-phenylbenzo[d]oxazol-7-yl)methoxy)-3,5-dichlorophenyl) Propanoic Acid

    2.4 Create Date
    2008-07-21
    3 Chemical and Physical Properties
    Molecular Weight 472.3 g/mol
    Molecular Formula C23H19Cl2N3O4
    XLogP32.1
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count7
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area125
    Heavy Atom Count32
    Formal Charge0
    Complexity626
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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